USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 HIS : no HE2:sc= -11.5! C(o=-18!,f=-23!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -135:sc= -6.94! (180deg=-5.88!) USER MOD Set 2.1: A 10 HIS :FLIP no HE2:sc= -0.189 F(o=-8.9,f=-1.4) USER MOD Set 2.2: A 32 ASN :FLIP amide:sc= -1.25! C(o=-5.3!,f=-1.4!) USER MOD Set 3.1: A 6 SER OG : rot 180:sc= -0.489 USER MOD Set 3.2: A 7 SER OG : rot 49:sc= 0.205 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.0454 USER MOD Single : A 19 CYS SG : rot 180:sc= -2.33! USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -163:sc= -11.9! (180deg=-13!) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -77:sc= -5.55! USER MOD Single : A 49 THR OG1 : rot 180:sc=-0.00822 USER MOD Single : A 56 CYS SG : rot -106:sc= -12.7! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -142:sc= -0.622 (180deg=-1.13) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0763 USER MOD Single : A 73 TYR OH : rot 175:sc= -0.623! USER MOD Single : A 75 TYR OH : rot 177:sc= -10.9! USER MOD ----------------------------------------------------------------- ATOM 65 N PHE A 5 -10.800 4.237 1.826 1.00 0.00 N ATOM 66 CA PHE A 5 -9.706 4.028 2.813 1.00 0.00 C ATOM 67 C PHE A 5 -10.301 3.756 4.194 1.00 0.00 C ATOM 68 O PHE A 5 -9.618 3.828 5.197 1.00 0.00 O ATOM 69 CB PHE A 5 -8.826 5.277 2.875 1.00 0.00 C ATOM 70 CG PHE A 5 -7.698 5.158 1.879 1.00 0.00 C ATOM 71 CD1 PHE A 5 -7.785 4.263 0.806 1.00 0.00 C ATOM 72 CD2 PHE A 5 -6.556 5.946 2.026 1.00 0.00 C ATOM 73 CE1 PHE A 5 -6.728 4.167 -0.109 1.00 0.00 C ATOM 74 CE2 PHE A 5 -5.514 5.843 1.100 1.00 0.00 C ATOM 75 CZ PHE A 5 -5.596 4.960 0.041 1.00 0.00 C ATOM 0 HA PHE A 5 -9.104 3.173 2.505 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -9.422 6.164 2.659 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.424 5.400 3.881 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -8.664 3.648 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.477 6.635 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -6.793 3.474 -0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.635 6.461 1.214 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.784 4.886 -0.667 1.00 0.00 H new ATOM 85 N SER A 6 -11.567 3.440 4.257 1.00 0.00 N ATOM 86 CA SER A 6 -12.197 3.155 5.575 1.00 0.00 C ATOM 87 C SER A 6 -11.299 2.203 6.361 1.00 0.00 C ATOM 88 O SER A 6 -10.297 1.733 5.865 1.00 0.00 O ATOM 89 CB SER A 6 -13.563 2.507 5.360 1.00 0.00 C ATOM 90 OG SER A 6 -13.982 1.883 6.567 1.00 0.00 O ATOM 0 H SER A 6 -12.190 3.367 3.453 1.00 0.00 H new ATOM 0 HA SER A 6 -12.324 4.084 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.291 3.259 5.054 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.507 1.772 4.557 1.00 0.00 H new ATOM 0 HG SER A 6 -14.859 1.467 6.433 1.00 0.00 H new ATOM 96 N SER A 7 -11.647 1.909 7.582 1.00 0.00 N ATOM 97 CA SER A 7 -10.797 0.989 8.387 1.00 0.00 C ATOM 98 C SER A 7 -10.440 -0.234 7.537 1.00 0.00 C ATOM 99 O SER A 7 -11.264 -1.102 7.328 1.00 0.00 O ATOM 100 CB SER A 7 -11.572 0.534 9.625 1.00 0.00 C ATOM 101 OG SER A 7 -12.913 0.243 9.257 1.00 0.00 O ATOM 0 H SER A 7 -12.478 2.263 8.055 1.00 0.00 H new ATOM 0 HA SER A 7 -9.887 1.504 8.696 1.00 0.00 H new ATOM 0 HB2 SER A 7 -11.102 -0.349 10.059 1.00 0.00 H new ATOM 0 HB3 SER A 7 -11.552 1.313 10.387 1.00 0.00 H new ATOM 0 HG SER A 7 -12.917 -0.339 8.468 1.00 0.00 H new ATOM 107 N PRO A 8 -9.217 -0.259 7.057 1.00 0.00 N ATOM 108 CA PRO A 8 -8.722 -1.358 6.208 1.00 0.00 C ATOM 109 C PRO A 8 -8.436 -2.597 7.054 1.00 0.00 C ATOM 110 O PRO A 8 -8.352 -2.530 8.264 1.00 0.00 O ATOM 111 CB PRO A 8 -7.434 -0.797 5.601 1.00 0.00 C ATOM 112 CG PRO A 8 -6.968 0.338 6.543 1.00 0.00 C ATOM 113 CD PRO A 8 -8.211 0.791 7.329 1.00 0.00 C ATOM 0 HA PRO A 8 -9.440 -1.669 5.449 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.672 -1.573 5.520 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.611 -0.418 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.189 -0.014 7.219 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.546 1.166 5.974 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.000 0.873 8.395 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.557 1.770 6.997 1.00 0.00 H new ATOM 121 N ASP A 9 -8.278 -3.726 6.426 1.00 0.00 N ATOM 122 CA ASP A 9 -7.987 -4.965 7.195 1.00 0.00 C ATOM 123 C ASP A 9 -6.546 -4.905 7.700 1.00 0.00 C ATOM 124 O ASP A 9 -6.187 -5.552 8.665 1.00 0.00 O ATOM 125 CB ASP A 9 -8.159 -6.183 6.284 1.00 0.00 C ATOM 126 CG ASP A 9 -9.647 -6.417 6.019 1.00 0.00 C ATOM 127 OD1 ASP A 9 -10.407 -6.409 6.973 1.00 0.00 O ATOM 128 OD2 ASP A 9 -10.001 -6.601 4.866 1.00 0.00 O ATOM 0 H ASP A 9 -8.338 -3.845 5.415 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.672 -5.048 8.039 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.632 -6.024 5.343 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.719 -7.064 6.751 1.00 0.00 H new ATOM 133 N HIS A 10 -5.716 -4.138 7.048 1.00 0.00 N ATOM 134 CA HIS A 10 -4.296 -4.039 7.478 1.00 0.00 C ATOM 135 C HIS A 10 -3.778 -2.625 7.212 1.00 0.00 C ATOM 136 O HIS A 10 -4.454 -1.817 6.618 1.00 0.00 O ATOM 137 CB HIS A 10 -3.476 -5.038 6.670 1.00 0.00 C ATOM 138 CG HIS A 10 -3.695 -6.419 7.219 1.00 0.00 C ATOM 139 ND1 HIS A 10 -4.729 -7.307 7.065 1.00 0.00 N flip ATOM 140 CD2 HIS A 10 -2.780 -7.041 8.054 1.00 0.00 C flip ATOM 141 CE1 HIS A 10 -4.464 -8.465 7.791 1.00 0.00 C flip ATOM 142 NE2 HIS A 10 -3.278 -8.252 8.369 1.00 0.00 N flip ATOM 0 H HIS A 10 -5.962 -3.575 6.234 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.212 -4.256 8.543 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -3.768 -5.001 5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -2.418 -4.779 6.716 1.00 0.00 H new ATOM 0 HD1 HIS A 10 -5.565 -7.144 6.504 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -1.840 -6.630 8.390 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.084 -9.346 7.870 1.00 0.00 H new ATOM 150 N THR A 11 -2.584 -2.317 7.648 1.00 0.00 N ATOM 151 CA THR A 11 -2.029 -0.958 7.409 1.00 0.00 C ATOM 152 C THR A 11 -0.515 -1.048 7.197 1.00 0.00 C ATOM 153 O THR A 11 0.119 -2.011 7.582 1.00 0.00 O ATOM 154 CB THR A 11 -2.308 -0.088 8.626 1.00 0.00 C ATOM 155 OG1 THR A 11 -3.692 -0.140 8.939 1.00 0.00 O ATOM 156 CG2 THR A 11 -1.896 1.357 8.336 1.00 0.00 C ATOM 0 H THR A 11 -1.971 -2.951 8.160 1.00 0.00 H new ATOM 0 HA THR A 11 -2.495 -0.526 6.523 1.00 0.00 H new ATOM 0 HB THR A 11 -1.732 -0.459 9.474 1.00 0.00 H new ATOM 0 HG1 THR A 11 -3.871 0.419 9.724 1.00 0.00 H new ATOM 0 HG21 THR A 11 -2.098 1.975 9.211 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.831 1.392 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.465 1.734 7.486 1.00 0.00 H new ATOM 164 N LEU A 12 0.072 -0.044 6.605 1.00 0.00 N ATOM 165 CA LEU A 12 1.551 -0.061 6.387 1.00 0.00 C ATOM 166 C LEU A 12 2.103 1.356 6.471 1.00 0.00 C ATOM 167 O LEU A 12 1.923 2.147 5.573 1.00 0.00 O ATOM 168 CB LEU A 12 1.878 -0.609 4.997 1.00 0.00 C ATOM 169 CG LEU A 12 3.350 -0.279 4.634 1.00 0.00 C ATOM 170 CD1 LEU A 12 4.244 -0.497 5.857 1.00 0.00 C ATOM 171 CD2 LEU A 12 3.819 -1.210 3.520 1.00 0.00 C ATOM 0 H LEU A 12 -0.407 0.789 6.262 1.00 0.00 H new ATOM 0 HA LEU A 12 1.999 -0.693 7.154 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.722 -1.688 4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.205 -0.175 4.257 1.00 0.00 H new ATOM 0 HG LEU A 12 3.412 0.759 4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.277 -0.264 5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.917 0.155 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.175 -1.537 6.177 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.853 -0.979 3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.751 -2.244 3.857 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.189 -1.073 2.642 1.00 0.00 H new ATOM 183 N ASP A 13 2.820 1.669 7.503 1.00 0.00 N ATOM 184 CA ASP A 13 3.416 3.025 7.582 1.00 0.00 C ATOM 185 C ASP A 13 4.604 3.051 6.624 1.00 0.00 C ATOM 186 O ASP A 13 5.405 2.137 6.606 1.00 0.00 O ATOM 187 CB ASP A 13 3.893 3.302 9.010 1.00 0.00 C ATOM 188 CG ASP A 13 4.219 4.788 9.162 1.00 0.00 C ATOM 189 OD1 ASP A 13 3.324 5.594 8.962 1.00 0.00 O ATOM 190 OD2 ASP A 13 5.357 5.096 9.474 1.00 0.00 O ATOM 0 H ASP A 13 3.020 1.052 8.291 1.00 0.00 H new ATOM 0 HA ASP A 13 2.684 3.787 7.314 1.00 0.00 H new ATOM 0 HB2 ASP A 13 3.122 3.014 9.724 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.775 2.701 9.233 1.00 0.00 H new ATOM 195 N ALA A 14 4.755 4.076 5.834 1.00 0.00 N ATOM 196 CA ALA A 14 5.921 4.102 4.913 1.00 0.00 C ATOM 197 C ALA A 14 6.471 5.525 4.889 1.00 0.00 C ATOM 198 O ALA A 14 7.253 5.945 4.033 1.00 0.00 O ATOM 199 CB ALA A 14 5.512 3.601 3.536 1.00 0.00 C ATOM 0 H ALA A 14 4.133 4.883 5.786 1.00 0.00 H new ATOM 0 HA ALA A 14 6.711 3.434 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.374 3.624 2.869 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.143 2.579 3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.726 4.241 3.135 1.00 0.00 H new ATOM 205 N LEU A 15 6.075 6.247 5.890 1.00 0.00 N ATOM 206 CA LEU A 15 6.545 7.618 6.091 1.00 0.00 C ATOM 207 C LEU A 15 7.893 7.507 6.774 1.00 0.00 C ATOM 208 O LEU A 15 8.002 7.148 7.930 1.00 0.00 O ATOM 209 CB LEU A 15 5.566 8.350 6.976 1.00 0.00 C ATOM 210 CG LEU A 15 4.147 7.870 6.672 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.136 8.739 7.411 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.904 7.970 5.170 1.00 0.00 C ATOM 0 H LEU A 15 5.419 5.921 6.600 1.00 0.00 H new ATOM 0 HA LEU A 15 6.629 8.166 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.804 8.173 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.642 9.425 6.809 1.00 0.00 H new ATOM 0 HG LEU A 15 4.032 6.837 7.000 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.127 8.391 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.315 8.673 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.242 9.775 7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.894 7.630 4.941 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.019 9.006 4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.625 7.346 4.642 1.00 0.00 H new ATOM 224 N GLY A 16 8.913 7.743 6.036 1.00 0.00 N ATOM 225 CA GLY A 16 10.285 7.586 6.577 1.00 0.00 C ATOM 226 C GLY A 16 10.808 6.235 6.079 1.00 0.00 C ATOM 227 O GLY A 16 11.935 5.856 6.327 1.00 0.00 O ATOM 0 H GLY A 16 8.866 8.044 5.063 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.929 8.398 6.238 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.277 7.619 7.666 1.00 0.00 H new ATOM 231 N LEU A 17 9.982 5.520 5.349 1.00 0.00 N ATOM 232 CA LEU A 17 10.388 4.213 4.791 1.00 0.00 C ATOM 233 C LEU A 17 10.825 4.452 3.376 1.00 0.00 C ATOM 234 O LEU A 17 10.327 5.330 2.714 1.00 0.00 O ATOM 235 CB LEU A 17 9.197 3.264 4.736 1.00 0.00 C ATOM 236 CG LEU A 17 8.746 2.869 6.133 1.00 0.00 C ATOM 237 CD1 LEU A 17 8.092 1.498 6.047 1.00 0.00 C ATOM 238 CD2 LEU A 17 9.938 2.783 7.070 1.00 0.00 C ATOM 0 H LEU A 17 9.029 5.803 5.119 1.00 0.00 H new ATOM 0 HA LEU A 17 11.174 3.780 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.373 3.741 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.465 2.371 4.171 1.00 0.00 H new ATOM 0 HG LEU A 17 8.050 3.615 6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.759 1.191 7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.235 1.545 5.375 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.813 0.774 5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.598 2.499 8.066 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.639 2.035 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.434 3.753 7.118 1.00 0.00 H new ATOM 250 N ARG A 18 11.720 3.683 2.886 1.00 0.00 N ATOM 251 CA ARG A 18 12.127 3.907 1.490 1.00 0.00 C ATOM 252 C ARG A 18 12.392 2.577 0.825 1.00 0.00 C ATOM 253 O ARG A 18 12.838 1.639 1.448 1.00 0.00 O ATOM 254 CB ARG A 18 13.350 4.796 1.454 1.00 0.00 C ATOM 255 CG ARG A 18 14.312 4.404 2.578 1.00 0.00 C ATOM 256 CD ARG A 18 15.678 5.045 2.329 1.00 0.00 C ATOM 257 NE ARG A 18 15.541 6.529 2.340 1.00 0.00 N ATOM 258 CZ ARG A 18 15.625 7.184 3.465 1.00 0.00 C ATOM 259 NH1 ARG A 18 16.764 7.253 4.097 1.00 0.00 N ATOM 260 NH2 ARG A 18 14.568 7.770 3.959 1.00 0.00 N ATOM 0 H ARG A 18 12.186 2.919 3.375 1.00 0.00 H new ATOM 0 HA ARG A 18 11.329 4.409 0.943 1.00 0.00 H new ATOM 0 HB2 ARG A 18 13.848 4.705 0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 18 13.055 5.840 1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.916 4.730 3.540 1.00 0.00 H new ATOM 0 HG3 ARG A 18 14.411 3.319 2.625 1.00 0.00 H new ATOM 0 HD2 ARG A 18 16.385 4.729 3.096 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.078 4.713 1.371 1.00 0.00 H new ATOM 0 HE ARG A 18 15.381 7.033 1.468 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.590 6.795 3.712 1.00 0.00 H new ATOM 0 HH12 ARG A 18 16.829 7.765 4.977 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.677 7.715 3.465 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.633 8.282 4.839 1.00 0.00 H new ATOM 274 N CYS A 19 12.117 2.484 -0.430 1.00 0.00 N ATOM 275 CA CYS A 19 12.339 1.192 -1.130 1.00 0.00 C ATOM 276 C CYS A 19 13.720 0.669 -0.763 1.00 0.00 C ATOM 277 O CYS A 19 14.658 1.434 -0.658 1.00 0.00 O ATOM 278 CB CYS A 19 12.249 1.408 -2.637 1.00 0.00 C ATOM 279 SG CYS A 19 12.871 -0.052 -3.510 1.00 0.00 S ATOM 0 H CYS A 19 11.749 3.239 -1.008 1.00 0.00 H new ATOM 0 HA CYS A 19 11.581 0.468 -0.831 1.00 0.00 H new ATOM 0 HB2 CYS A 19 11.215 1.601 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 19 12.828 2.286 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 19 12.788 0.141 -4.793 1.00 0.00 H new ATOM 285 N PRO A 20 13.815 -0.622 -0.588 1.00 0.00 N ATOM 286 CA PRO A 20 12.683 -1.577 -0.711 1.00 0.00 C ATOM 287 C PRO A 20 11.939 -1.752 0.628 1.00 0.00 C ATOM 288 O PRO A 20 11.085 -2.596 0.755 1.00 0.00 O ATOM 289 CB PRO A 20 13.386 -2.892 -1.038 1.00 0.00 C ATOM 290 CG PRO A 20 14.824 -2.763 -0.475 1.00 0.00 C ATOM 291 CD PRO A 20 15.098 -1.265 -0.274 1.00 0.00 C ATOM 0 HA PRO A 20 11.947 -1.246 -1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.865 -3.735 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 20 13.403 -3.068 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.918 -3.302 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 20 15.548 -3.198 -1.164 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.412 -1.051 0.747 1.00 0.00 H new ATOM 0 HD3 PRO A 20 15.892 -0.913 -0.932 1.00 0.00 H new ATOM 299 N GLU A 21 12.320 -1.021 1.635 1.00 0.00 N ATOM 300 CA GLU A 21 11.702 -1.189 3.001 1.00 0.00 C ATOM 301 C GLU A 21 10.170 -1.112 3.022 1.00 0.00 C ATOM 302 O GLU A 21 9.534 -1.934 3.650 1.00 0.00 O ATOM 303 CB GLU A 21 12.266 -0.141 3.946 1.00 0.00 C ATOM 304 CG GLU A 21 13.703 -0.506 4.322 1.00 0.00 C ATOM 305 CD GLU A 21 13.729 -1.090 5.735 1.00 0.00 C ATOM 306 OE1 GLU A 21 13.759 -0.312 6.675 1.00 0.00 O ATOM 307 OE2 GLU A 21 13.719 -2.303 5.855 1.00 0.00 O ATOM 0 H GLU A 21 13.042 -0.302 1.581 1.00 0.00 H new ATOM 0 HA GLU A 21 11.960 -2.198 3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 21 12.242 0.840 3.472 1.00 0.00 H new ATOM 0 HB3 GLU A 21 11.650 -0.077 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.104 -1.229 3.611 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.339 0.378 4.271 1.00 0.00 H new ATOM 314 N PRO A 22 9.614 -0.144 2.371 1.00 0.00 N ATOM 315 CA PRO A 22 8.157 0.025 2.345 1.00 0.00 C ATOM 316 C PRO A 22 7.565 -1.110 1.544 1.00 0.00 C ATOM 317 O PRO A 22 6.864 -1.958 2.058 1.00 0.00 O ATOM 318 CB PRO A 22 7.962 1.379 1.672 1.00 0.00 C ATOM 319 CG PRO A 22 9.263 1.674 0.899 1.00 0.00 C ATOM 320 CD PRO A 22 10.359 0.838 1.580 1.00 0.00 C ATOM 0 HA PRO A 22 7.673 0.003 3.321 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.106 1.357 0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.765 2.155 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.162 1.403 -0.152 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.505 2.736 0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 22 11.005 0.354 0.848 1.00 0.00 H new ATOM 0 HD3 PRO A 22 10.999 1.456 2.210 1.00 0.00 H new ATOM 328 N VAL A 23 7.884 -1.160 0.297 1.00 0.00 N ATOM 329 CA VAL A 23 7.395 -2.277 -0.536 1.00 0.00 C ATOM 330 C VAL A 23 7.641 -3.577 0.225 1.00 0.00 C ATOM 331 O VAL A 23 6.952 -4.557 0.042 1.00 0.00 O ATOM 332 CB VAL A 23 8.200 -2.319 -1.827 1.00 0.00 C ATOM 333 CG1 VAL A 23 7.831 -3.574 -2.619 1.00 0.00 C ATOM 334 CG2 VAL A 23 7.897 -1.079 -2.663 1.00 0.00 C ATOM 0 H VAL A 23 8.464 -0.475 -0.187 1.00 0.00 H new ATOM 0 HA VAL A 23 6.336 -2.149 -0.758 1.00 0.00 H new ATOM 0 HB VAL A 23 9.263 -2.340 -1.588 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.408 -3.604 -3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.055 -4.459 -2.023 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.767 -3.555 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 23 8.475 -1.113 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.834 -1.052 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.165 -0.186 -2.099 1.00 0.00 H new ATOM 344 N MET A 24 8.633 -3.587 1.084 1.00 0.00 N ATOM 345 CA MET A 24 8.936 -4.829 1.852 1.00 0.00 C ATOM 346 C MET A 24 7.831 -5.084 2.874 1.00 0.00 C ATOM 347 O MET A 24 7.359 -6.193 3.029 1.00 0.00 O ATOM 348 CB MET A 24 10.273 -4.665 2.577 1.00 0.00 C ATOM 349 CG MET A 24 11.408 -5.139 1.668 1.00 0.00 C ATOM 350 SD MET A 24 12.997 -4.637 2.374 1.00 0.00 S ATOM 351 CE MET A 24 13.899 -6.162 2.009 1.00 0.00 C ATOM 0 H MET A 24 9.241 -2.792 1.283 1.00 0.00 H new ATOM 0 HA MET A 24 8.994 -5.674 1.165 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.424 -3.621 2.851 1.00 0.00 H new ATOM 0 HB3 MET A 24 10.270 -5.240 3.503 1.00 0.00 H new ATOM 0 HG2 MET A 24 11.373 -6.223 1.559 1.00 0.00 H new ATOM 0 HG3 MET A 24 11.291 -4.715 0.671 1.00 0.00 H new ATOM 0 HE1 MET A 24 14.925 -6.072 2.366 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.413 -7.000 2.508 1.00 0.00 H new ATOM 0 HE3 MET A 24 13.903 -6.334 0.933 1.00 0.00 H new ATOM 361 N MET A 25 7.416 -4.068 3.573 1.00 0.00 N ATOM 362 CA MET A 25 6.344 -4.255 4.584 1.00 0.00 C ATOM 363 C MET A 25 5.086 -4.773 3.897 1.00 0.00 C ATOM 364 O MET A 25 4.427 -5.655 4.395 1.00 0.00 O ATOM 365 CB MET A 25 6.046 -2.919 5.264 1.00 0.00 C ATOM 366 CG MET A 25 6.977 -2.735 6.463 1.00 0.00 C ATOM 367 SD MET A 25 6.396 -3.752 7.843 1.00 0.00 S ATOM 368 CE MET A 25 7.916 -4.705 8.076 1.00 0.00 C ATOM 0 H MET A 25 7.773 -3.116 3.488 1.00 0.00 H new ATOM 0 HA MET A 25 6.670 -4.976 5.334 1.00 0.00 H new ATOM 0 HB2 MET A 25 6.182 -2.101 4.556 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.006 -2.889 5.590 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.995 -3.017 6.193 1.00 0.00 H new ATOM 0 HG3 MET A 25 7.005 -1.686 6.757 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.781 -5.411 8.896 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.147 -5.251 7.161 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.737 -4.028 8.311 1.00 0.00 H new ATOM 378 N VAL A 26 4.742 -4.241 2.757 1.00 0.00 N ATOM 379 CA VAL A 26 3.519 -4.744 2.065 1.00 0.00 C ATOM 380 C VAL A 26 3.724 -6.210 1.693 1.00 0.00 C ATOM 381 O VAL A 26 2.783 -6.950 1.576 1.00 0.00 O ATOM 382 CB VAL A 26 3.251 -3.959 0.783 1.00 0.00 C ATOM 383 CG1 VAL A 26 2.023 -4.542 0.075 1.00 0.00 C ATOM 384 CG2 VAL A 26 2.962 -2.500 1.108 1.00 0.00 C ATOM 0 H VAL A 26 5.244 -3.492 2.280 1.00 0.00 H new ATOM 0 HA VAL A 26 2.671 -4.625 2.740 1.00 0.00 H new ATOM 0 HB VAL A 26 4.132 -4.028 0.145 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.831 -3.982 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.207 -5.588 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.156 -4.471 0.732 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.773 -1.952 0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.086 -2.438 1.753 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.820 -2.064 1.619 1.00 0.00 H new ATOM 394 N ARG A 27 4.945 -6.629 1.484 1.00 0.00 N ATOM 395 CA ARG A 27 5.186 -8.062 1.107 1.00 0.00 C ATOM 396 C ARG A 27 4.815 -8.967 2.269 1.00 0.00 C ATOM 397 O ARG A 27 4.021 -9.861 2.135 1.00 0.00 O ATOM 398 CB ARG A 27 6.661 -8.307 0.799 1.00 0.00 C ATOM 399 CG ARG A 27 6.894 -8.240 -0.706 1.00 0.00 C ATOM 400 CD ARG A 27 7.280 -6.816 -1.072 1.00 0.00 C ATOM 401 NE ARG A 27 8.041 -6.811 -2.353 1.00 0.00 N ATOM 402 CZ ARG A 27 9.145 -7.497 -2.460 1.00 0.00 C ATOM 403 NH1 ARG A 27 10.146 -7.252 -1.658 1.00 0.00 N ATOM 404 NH2 ARG A 27 9.251 -8.426 -3.369 1.00 0.00 N ATOM 0 H ARG A 27 5.782 -6.050 1.556 1.00 0.00 H new ATOM 0 HA ARG A 27 4.579 -8.276 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.276 -7.562 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.964 -9.282 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.683 -8.933 -0.998 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.993 -8.538 -1.242 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.385 -6.201 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.885 -6.378 -0.278 1.00 0.00 H new ATOM 0 HE ARG A 27 7.698 -6.270 -3.147 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.064 -6.524 -0.948 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.010 -7.788 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.470 -8.617 -3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.115 -8.962 -3.452 1.00 0.00 H new ATOM 418 N LYS A 28 5.405 -8.736 3.403 1.00 0.00 N ATOM 419 CA LYS A 28 5.112 -9.581 4.601 1.00 0.00 C ATOM 420 C LYS A 28 3.636 -9.434 4.933 1.00 0.00 C ATOM 421 O LYS A 28 2.955 -10.380 5.267 1.00 0.00 O ATOM 422 CB LYS A 28 5.957 -9.110 5.787 1.00 0.00 C ATOM 423 CG LYS A 28 7.404 -9.571 5.603 1.00 0.00 C ATOM 424 CD LYS A 28 8.184 -9.336 6.899 1.00 0.00 C ATOM 425 CE LYS A 28 9.418 -8.479 6.606 1.00 0.00 C ATOM 426 NZ LYS A 28 10.649 -9.297 6.802 1.00 0.00 N ATOM 0 H LYS A 28 6.085 -7.992 3.559 1.00 0.00 H new ATOM 0 HA LYS A 28 5.352 -10.624 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.918 -8.023 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 28 5.553 -9.511 6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 28 7.429 -10.628 5.338 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.869 -9.025 4.782 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.549 -8.839 7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.485 -10.290 7.332 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.378 -8.102 5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.436 -7.611 7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.488 -8.715 6.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.688 -9.636 7.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.631 -10.111 6.155 1.00 0.00 H new ATOM 440 N THR A 29 3.144 -8.244 4.803 1.00 0.00 N ATOM 441 CA THR A 29 1.710 -7.976 5.053 1.00 0.00 C ATOM 442 C THR A 29 0.934 -8.723 3.978 1.00 0.00 C ATOM 443 O THR A 29 -0.143 -9.234 4.189 1.00 0.00 O ATOM 444 CB THR A 29 1.506 -6.471 4.906 1.00 0.00 C ATOM 445 OG1 THR A 29 1.684 -5.840 6.165 1.00 0.00 O ATOM 446 CG2 THR A 29 0.117 -6.134 4.349 1.00 0.00 C ATOM 0 H THR A 29 3.688 -7.426 4.528 1.00 0.00 H new ATOM 0 HA THR A 29 1.379 -8.296 6.041 1.00 0.00 H new ATOM 0 HB THR A 29 2.246 -6.102 4.196 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.554 -4.874 6.068 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.013 -5.053 4.260 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.002 -6.592 3.367 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.648 -6.518 5.024 1.00 0.00 H new ATOM 454 N VAL A 30 1.516 -8.803 2.826 1.00 0.00 N ATOM 455 CA VAL A 30 0.873 -9.526 1.710 1.00 0.00 C ATOM 456 C VAL A 30 0.957 -11.013 2.036 1.00 0.00 C ATOM 457 O VAL A 30 0.148 -11.815 1.614 1.00 0.00 O ATOM 458 CB VAL A 30 1.659 -9.227 0.433 1.00 0.00 C ATOM 459 CG1 VAL A 30 1.431 -10.324 -0.593 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.216 -7.890 -0.166 1.00 0.00 C ATOM 0 H VAL A 30 2.423 -8.392 2.607 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.166 -9.226 1.571 1.00 0.00 H new ATOM 0 HB VAL A 30 2.717 -9.178 0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.996 -10.099 -1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.764 -11.279 -0.185 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.369 -10.382 -0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.785 -7.692 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.153 -7.933 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.394 -7.092 0.555 1.00 0.00 H new ATOM 470 N ARG A 31 1.945 -11.364 2.804 1.00 0.00 N ATOM 471 CA ARG A 31 2.136 -12.776 3.207 1.00 0.00 C ATOM 472 C ARG A 31 1.101 -13.124 4.271 1.00 0.00 C ATOM 473 O ARG A 31 0.640 -14.244 4.356 1.00 0.00 O ATOM 474 CB ARG A 31 3.538 -12.951 3.796 1.00 0.00 C ATOM 475 CG ARG A 31 4.599 -12.781 2.700 1.00 0.00 C ATOM 476 CD ARG A 31 5.993 -12.817 3.332 1.00 0.00 C ATOM 477 NE ARG A 31 6.837 -13.819 2.621 1.00 0.00 N ATOM 478 CZ ARG A 31 7.628 -13.438 1.654 1.00 0.00 C ATOM 479 NH1 ARG A 31 8.759 -12.847 1.932 1.00 0.00 N ATOM 480 NH2 ARG A 31 7.289 -13.648 0.412 1.00 0.00 N ATOM 0 H ARG A 31 2.641 -10.717 3.176 1.00 0.00 H new ATOM 0 HA ARG A 31 2.021 -13.428 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.702 -12.219 4.587 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.629 -13.938 4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.503 -13.575 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.449 -11.837 2.177 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.455 -11.831 3.275 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.918 -13.074 4.389 1.00 0.00 H new ATOM 0 HE ARG A 31 6.797 -14.802 2.890 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.024 -12.683 2.903 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.378 -12.549 1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 31 6.406 -14.110 0.196 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.907 -13.350 -0.343 1.00 0.00 H new ATOM 494 N ASN A 32 0.725 -12.173 5.092 1.00 0.00 N ATOM 495 CA ASN A 32 -0.288 -12.490 6.140 1.00 0.00 C ATOM 496 C ASN A 32 -1.653 -11.944 5.706 1.00 0.00 C ATOM 497 O ASN A 32 -2.601 -11.935 6.466 1.00 0.00 O ATOM 498 CB ASN A 32 0.139 -11.895 7.497 1.00 0.00 C ATOM 499 CG ASN A 32 -0.431 -10.487 7.676 1.00 0.00 C ATOM 500 OD1 ASN A 32 -0.144 -9.578 6.799 1.00 0.00 O flip ATOM 501 ND2 ASN A 32 -1.141 -10.219 8.625 1.00 0.00 N flip ATOM 0 H ASN A 32 1.068 -11.212 5.082 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.362 -13.571 6.260 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -0.207 -12.538 8.306 1.00 0.00 H new ATOM 0 HB3 ASN A 32 1.227 -11.862 7.559 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.365 -10.938 9.314 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -1.513 -9.276 8.733 1.00 0.00 H new ATOM 508 N MET A 33 -1.761 -11.501 4.481 1.00 0.00 N ATOM 509 CA MET A 33 -3.065 -10.971 3.994 1.00 0.00 C ATOM 510 C MET A 33 -3.827 -12.071 3.256 1.00 0.00 C ATOM 511 O MET A 33 -3.339 -13.167 3.064 1.00 0.00 O ATOM 512 CB MET A 33 -2.837 -9.791 3.042 1.00 0.00 C ATOM 513 CG MET A 33 -2.875 -8.478 3.830 1.00 0.00 C ATOM 514 SD MET A 33 -3.501 -7.151 2.770 1.00 0.00 S ATOM 515 CE MET A 33 -5.195 -7.770 2.587 1.00 0.00 C ATOM 0 H MET A 33 -1.003 -11.484 3.799 1.00 0.00 H new ATOM 0 HA MET A 33 -3.646 -10.633 4.852 1.00 0.00 H new ATOM 0 HB2 MET A 33 -1.876 -9.897 2.539 1.00 0.00 H new ATOM 0 HB3 MET A 33 -3.603 -9.783 2.267 1.00 0.00 H new ATOM 0 HG2 MET A 33 -3.512 -8.587 4.708 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.877 -8.229 4.190 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.673 -7.278 1.740 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.173 -8.846 2.417 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.760 -7.558 3.495 1.00 0.00 H new ATOM 525 N GLN A 34 -5.025 -11.775 2.844 1.00 0.00 N ATOM 526 CA GLN A 34 -5.849 -12.778 2.117 1.00 0.00 C ATOM 527 C GLN A 34 -6.568 -12.077 0.966 1.00 0.00 C ATOM 528 O GLN A 34 -6.812 -10.887 1.029 1.00 0.00 O ATOM 529 CB GLN A 34 -6.881 -13.382 3.072 1.00 0.00 C ATOM 530 CG GLN A 34 -6.169 -14.253 4.109 1.00 0.00 C ATOM 531 CD GLN A 34 -6.950 -14.219 5.424 1.00 0.00 C ATOM 532 OE1 GLN A 34 -8.157 -14.356 5.431 1.00 0.00 O ATOM 533 NE2 GLN A 34 -6.307 -14.042 6.546 1.00 0.00 N ATOM 0 H GLN A 34 -5.475 -10.870 2.981 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.212 -13.573 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -7.440 -12.589 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -7.603 -13.979 2.514 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.090 -15.278 3.747 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.153 -13.892 4.267 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.294 -13.927 6.540 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.818 -14.019 7.428 1.00 0.00 H new ATOM 542 N PRO A 35 -6.886 -12.825 -0.054 1.00 0.00 N ATOM 543 CA PRO A 35 -7.576 -12.280 -1.231 1.00 0.00 C ATOM 544 C PRO A 35 -9.012 -11.920 -0.861 1.00 0.00 C ATOM 545 O PRO A 35 -9.767 -12.730 -0.363 1.00 0.00 O ATOM 546 CB PRO A 35 -7.502 -13.410 -2.257 1.00 0.00 C ATOM 547 CG PRO A 35 -7.255 -14.709 -1.454 1.00 0.00 C ATOM 548 CD PRO A 35 -6.614 -14.274 -0.121 1.00 0.00 C ATOM 0 HA PRO A 35 -7.133 -11.364 -1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -8.427 -13.477 -2.830 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.697 -13.235 -2.971 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.189 -15.243 -1.281 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -6.597 -15.385 -2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -7.053 -14.803 0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.544 -14.481 -0.106 1.00 0.00 H new ATOM 556 N GLY A 36 -9.366 -10.687 -1.064 1.00 0.00 N ATOM 557 CA GLY A 36 -10.720 -10.215 -0.693 1.00 0.00 C ATOM 558 C GLY A 36 -10.570 -9.347 0.553 1.00 0.00 C ATOM 559 O GLY A 36 -11.515 -9.109 1.279 1.00 0.00 O ATOM 0 H GLY A 36 -8.764 -9.976 -1.478 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.165 -9.644 -1.508 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.381 -11.059 -0.497 1.00 0.00 H new ATOM 563 N GLU A 37 -9.371 -8.881 0.811 1.00 0.00 N ATOM 564 CA GLU A 37 -9.141 -8.038 2.017 1.00 0.00 C ATOM 565 C GLU A 37 -8.583 -6.679 1.592 1.00 0.00 C ATOM 566 O GLU A 37 -8.473 -6.390 0.420 1.00 0.00 O ATOM 567 CB GLU A 37 -8.139 -8.741 2.931 1.00 0.00 C ATOM 568 CG GLU A 37 -8.890 -9.637 3.918 1.00 0.00 C ATOM 569 CD GLU A 37 -7.954 -10.040 5.060 1.00 0.00 C ATOM 570 OE1 GLU A 37 -7.058 -10.830 4.814 1.00 0.00 O ATOM 571 OE2 GLU A 37 -8.149 -9.551 6.160 1.00 0.00 O ATOM 0 H GLU A 37 -8.545 -9.050 0.236 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.081 -7.889 2.548 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.445 -9.337 2.338 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -7.545 -8.004 3.472 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.758 -9.111 4.314 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.261 -10.526 3.408 1.00 0.00 H new ATOM 578 N THR A 38 -8.235 -5.839 2.532 1.00 0.00 N ATOM 579 CA THR A 38 -7.694 -4.502 2.156 1.00 0.00 C ATOM 580 C THR A 38 -6.515 -4.127 3.058 1.00 0.00 C ATOM 581 O THR A 38 -6.401 -4.580 4.180 1.00 0.00 O ATOM 582 CB THR A 38 -8.799 -3.454 2.292 1.00 0.00 C ATOM 583 OG1 THR A 38 -9.636 -3.788 3.391 1.00 0.00 O ATOM 584 CG2 THR A 38 -9.625 -3.425 1.006 1.00 0.00 C ATOM 0 H THR A 38 -8.301 -6.019 3.534 1.00 0.00 H new ATOM 0 HA THR A 38 -7.344 -4.539 1.124 1.00 0.00 H new ATOM 0 HB THR A 38 -8.356 -2.473 2.463 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.344 -3.116 3.480 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.415 -2.679 1.097 1.00 0.00 H new ATOM 0 HG22 THR A 38 -8.980 -3.170 0.165 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.070 -4.406 0.837 1.00 0.00 H new ATOM 592 N LEU A 39 -5.637 -3.299 2.560 1.00 0.00 N ATOM 593 CA LEU A 39 -4.449 -2.871 3.352 1.00 0.00 C ATOM 594 C LEU A 39 -4.146 -1.404 3.026 1.00 0.00 C ATOM 595 O LEU A 39 -3.821 -1.066 1.906 1.00 0.00 O ATOM 596 CB LEU A 39 -3.248 -3.738 2.953 1.00 0.00 C ATOM 597 CG LEU A 39 -1.947 -3.121 3.480 1.00 0.00 C ATOM 598 CD1 LEU A 39 -1.644 -3.671 4.869 1.00 0.00 C ATOM 599 CD2 LEU A 39 -0.799 -3.475 2.533 1.00 0.00 C ATOM 0 H LEU A 39 -5.694 -2.896 1.625 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.644 -2.982 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.369 -4.745 3.353 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.202 -3.829 1.868 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.057 -2.038 3.536 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.719 -3.231 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.462 -3.422 5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.534 -4.754 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.128 -3.038 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.693 -4.558 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.013 -3.081 1.539 1.00 0.00 H new ATOM 611 N LEU A 40 -4.226 -0.529 3.991 1.00 0.00 N ATOM 612 CA LEU A 40 -3.918 0.900 3.717 1.00 0.00 C ATOM 613 C LEU A 40 -2.416 1.099 3.897 1.00 0.00 C ATOM 614 O LEU A 40 -1.788 0.443 4.703 1.00 0.00 O ATOM 615 CB LEU A 40 -4.682 1.794 4.696 1.00 0.00 C ATOM 616 CG LEU A 40 -4.143 3.223 4.610 1.00 0.00 C ATOM 617 CD1 LEU A 40 -4.565 3.848 3.278 1.00 0.00 C ATOM 618 CD2 LEU A 40 -4.711 4.053 5.762 1.00 0.00 C ATOM 0 H LEU A 40 -4.490 -0.742 4.953 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.217 1.165 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.747 1.781 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.574 1.414 5.712 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.055 3.205 4.676 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.181 4.866 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.162 3.258 2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.653 3.866 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.327 5.071 5.701 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.799 4.071 5.696 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.413 3.609 6.712 1.00 0.00 H new ATOM 630 N ILE A 41 -1.825 1.969 3.131 1.00 0.00 N ATOM 631 CA ILE A 41 -0.355 2.161 3.243 1.00 0.00 C ATOM 632 C ILE A 41 0.009 3.634 3.073 1.00 0.00 C ATOM 633 O ILE A 41 -0.262 4.226 2.050 1.00 0.00 O ATOM 634 CB ILE A 41 0.308 1.354 2.129 1.00 0.00 C ATOM 635 CG1 ILE A 41 -0.422 0.006 1.996 1.00 0.00 C ATOM 636 CG2 ILE A 41 1.787 1.144 2.458 1.00 0.00 C ATOM 637 CD1 ILE A 41 0.467 -1.022 1.292 1.00 0.00 C ATOM 0 H ILE A 41 -2.292 2.552 2.437 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.016 1.832 4.225 1.00 0.00 H new ATOM 0 HB ILE A 41 0.244 1.889 1.182 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.700 -0.362 2.984 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.346 0.141 1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.259 0.568 1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.281 2.112 2.547 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.877 0.603 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.067 -1.968 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.723 -0.660 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.379 -1.171 1.870 1.00 0.00 H new ATOM 649 N ILE A 42 0.665 4.231 4.034 1.00 0.00 N ATOM 650 CA ILE A 42 1.065 5.637 3.855 1.00 0.00 C ATOM 651 C ILE A 42 2.512 5.632 3.427 1.00 0.00 C ATOM 652 O ILE A 42 3.201 4.645 3.565 1.00 0.00 O ATOM 653 CB ILE A 42 0.922 6.418 5.151 1.00 0.00 C ATOM 654 CG1 ILE A 42 -0.283 5.896 5.927 1.00 0.00 C ATOM 655 CG2 ILE A 42 0.724 7.906 4.822 1.00 0.00 C ATOM 656 CD1 ILE A 42 -0.719 6.962 6.920 1.00 0.00 C ATOM 0 H ILE A 42 0.933 3.803 4.920 1.00 0.00 H new ATOM 0 HA ILE A 42 0.427 6.115 3.112 1.00 0.00 H new ATOM 0 HB ILE A 42 1.819 6.296 5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.099 5.659 5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.026 4.974 6.450 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.621 8.473 5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.586 8.274 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.176 8.029 4.219 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.581 6.604 7.483 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.100 7.176 7.607 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.989 7.871 6.383 1.00 0.00 H new ATOM 668 N ALA A 43 2.979 6.706 2.909 1.00 0.00 N ATOM 669 CA ALA A 43 4.388 6.746 2.472 1.00 0.00 C ATOM 670 C ALA A 43 4.803 8.188 2.289 1.00 0.00 C ATOM 671 O ALA A 43 4.193 8.925 1.551 1.00 0.00 O ATOM 672 CB ALA A 43 4.535 5.997 1.147 1.00 0.00 C ATOM 0 H ALA A 43 2.450 7.566 2.765 1.00 0.00 H new ATOM 0 HA ALA A 43 5.021 6.272 3.222 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.576 6.027 0.825 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.226 4.960 1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.908 6.469 0.391 1.00 0.00 H new ATOM 678 N ASP A 44 5.862 8.589 2.900 1.00 0.00 N ATOM 679 CA ASP A 44 6.324 9.972 2.686 1.00 0.00 C ATOM 680 C ASP A 44 7.487 9.863 1.735 1.00 0.00 C ATOM 681 O ASP A 44 7.795 10.770 0.988 1.00 0.00 O ATOM 682 CB ASP A 44 6.729 10.657 3.999 1.00 0.00 C ATOM 683 CG ASP A 44 7.994 10.039 4.591 1.00 0.00 C ATOM 684 OD1 ASP A 44 8.863 9.647 3.832 1.00 0.00 O ATOM 685 OD2 ASP A 44 8.077 9.981 5.806 1.00 0.00 O ATOM 0 H ASP A 44 6.427 8.026 3.535 1.00 0.00 H new ATOM 0 HA ASP A 44 5.527 10.595 2.279 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.893 11.720 3.820 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.914 10.577 4.718 1.00 0.00 H new ATOM 690 N ASP A 45 8.112 8.714 1.722 1.00 0.00 N ATOM 691 CA ASP A 45 9.224 8.512 0.776 1.00 0.00 C ATOM 692 C ASP A 45 8.658 8.656 -0.646 1.00 0.00 C ATOM 693 O ASP A 45 7.540 8.253 -0.903 1.00 0.00 O ATOM 694 CB ASP A 45 9.778 7.127 1.020 1.00 0.00 C ATOM 695 CG ASP A 45 10.472 6.579 -0.227 1.00 0.00 C ATOM 696 OD1 ASP A 45 11.634 6.892 -0.422 1.00 0.00 O ATOM 697 OD2 ASP A 45 9.833 5.845 -0.961 1.00 0.00 O ATOM 0 H ASP A 45 7.896 7.919 2.324 1.00 0.00 H new ATOM 0 HA ASP A 45 10.026 9.239 0.905 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.485 7.157 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.970 6.456 1.314 1.00 0.00 H new ATOM 702 N PRO A 46 9.425 9.252 -1.518 1.00 0.00 N ATOM 703 CA PRO A 46 9.003 9.495 -2.911 1.00 0.00 C ATOM 704 C PRO A 46 9.110 8.213 -3.730 1.00 0.00 C ATOM 705 O PRO A 46 8.526 8.081 -4.787 1.00 0.00 O ATOM 706 CB PRO A 46 9.998 10.545 -3.406 1.00 0.00 C ATOM 707 CG PRO A 46 11.244 10.432 -2.495 1.00 0.00 C ATOM 708 CD PRO A 46 10.785 9.725 -1.207 1.00 0.00 C ATOM 0 HA PRO A 46 7.967 9.823 -2.997 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.262 10.368 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.567 11.545 -3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.034 9.865 -2.988 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.651 11.418 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 46 11.446 8.897 -0.951 1.00 0.00 H new ATOM 0 HD3 PRO A 46 10.784 10.407 -0.357 1.00 0.00 H new ATOM 716 N ALA A 47 9.860 7.276 -3.244 1.00 0.00 N ATOM 717 CA ALA A 47 10.029 5.990 -3.981 1.00 0.00 C ATOM 718 C ALA A 47 8.957 4.989 -3.548 1.00 0.00 C ATOM 719 O ALA A 47 8.883 3.891 -4.063 1.00 0.00 O ATOM 720 CB ALA A 47 11.414 5.411 -3.688 1.00 0.00 C ATOM 0 H ALA A 47 10.370 7.339 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 47 9.928 6.179 -5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 47 11.537 4.471 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 47 12.179 6.117 -4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 47 11.514 5.231 -2.618 1.00 0.00 H new ATOM 726 N THR A 48 8.128 5.348 -2.609 1.00 0.00 N ATOM 727 CA THR A 48 7.071 4.401 -2.158 1.00 0.00 C ATOM 728 C THR A 48 5.834 4.563 -3.040 1.00 0.00 C ATOM 729 O THR A 48 5.190 3.602 -3.406 1.00 0.00 O ATOM 730 CB THR A 48 6.701 4.699 -0.704 1.00 0.00 C ATOM 731 OG1 THR A 48 6.669 6.106 -0.502 1.00 0.00 O ATOM 732 CG2 THR A 48 7.737 4.066 0.223 1.00 0.00 C ATOM 0 H THR A 48 8.136 6.252 -2.136 1.00 0.00 H new ATOM 0 HA THR A 48 7.444 3.380 -2.235 1.00 0.00 H new ATOM 0 HB THR A 48 5.718 4.283 -0.483 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.585 6.447 -0.428 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.475 4.277 1.260 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.755 2.988 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 48 8.721 4.481 0.006 1.00 0.00 H new ATOM 740 N THR A 49 5.496 5.771 -3.389 1.00 0.00 N ATOM 741 CA THR A 49 4.299 5.978 -4.253 1.00 0.00 C ATOM 742 C THR A 49 4.482 5.178 -5.532 1.00 0.00 C ATOM 743 O THR A 49 3.533 4.723 -6.138 1.00 0.00 O ATOM 744 CB THR A 49 4.149 7.457 -4.631 1.00 0.00 C ATOM 745 OG1 THR A 49 4.843 7.703 -5.846 1.00 0.00 O ATOM 746 CG2 THR A 49 4.730 8.342 -3.534 1.00 0.00 C ATOM 0 H THR A 49 5.992 6.620 -3.117 1.00 0.00 H new ATOM 0 HA THR A 49 3.412 5.657 -3.707 1.00 0.00 H new ATOM 0 HB THR A 49 3.091 7.687 -4.752 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.748 8.647 -6.092 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.618 9.389 -3.814 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.201 8.157 -2.599 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.788 8.113 -3.404 1.00 0.00 H new ATOM 754 N ARG A 50 5.698 5.037 -5.966 1.00 0.00 N ATOM 755 CA ARG A 50 5.945 4.294 -7.237 1.00 0.00 C ATOM 756 C ARG A 50 6.320 2.832 -6.982 1.00 0.00 C ATOM 757 O ARG A 50 5.969 1.953 -7.745 1.00 0.00 O ATOM 758 CB ARG A 50 7.089 4.969 -7.988 1.00 0.00 C ATOM 759 CG ARG A 50 6.584 6.258 -8.641 1.00 0.00 C ATOM 760 CD ARG A 50 7.153 7.465 -7.893 1.00 0.00 C ATOM 761 NE ARG A 50 8.415 7.906 -8.552 1.00 0.00 N ATOM 762 CZ ARG A 50 8.385 8.848 -9.454 1.00 0.00 C ATOM 763 NH1 ARG A 50 7.371 8.936 -10.272 1.00 0.00 N ATOM 764 NH2 ARG A 50 9.368 9.703 -9.538 1.00 0.00 N ATOM 0 H ARG A 50 6.531 5.400 -5.502 1.00 0.00 H new ATOM 0 HA ARG A 50 5.025 4.311 -7.821 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.906 5.193 -7.302 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.486 4.296 -8.748 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.885 6.290 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.495 6.285 -8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.428 8.279 -7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.345 7.204 -6.852 1.00 0.00 H new ATOM 0 HE ARG A 50 9.302 7.471 -8.298 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.603 8.268 -10.206 1.00 0.00 H new ATOM 0 HH12 ARG A 50 7.347 9.672 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 50 10.160 9.634 -8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 50 9.344 10.439 -10.243 1.00 0.00 H new ATOM 778 N ASP A 51 7.070 2.566 -5.957 1.00 0.00 N ATOM 779 CA ASP A 51 7.511 1.162 -5.707 1.00 0.00 C ATOM 780 C ASP A 51 6.506 0.368 -4.867 1.00 0.00 C ATOM 781 O ASP A 51 6.196 -0.763 -5.177 1.00 0.00 O ATOM 782 CB ASP A 51 8.852 1.194 -4.971 1.00 0.00 C ATOM 783 CG ASP A 51 9.917 1.820 -5.874 1.00 0.00 C ATOM 784 OD1 ASP A 51 9.659 1.950 -7.059 1.00 0.00 O ATOM 785 OD2 ASP A 51 10.972 2.157 -5.364 1.00 0.00 O ATOM 0 H ASP A 51 7.399 3.254 -5.280 1.00 0.00 H new ATOM 0 HA ASP A 51 7.595 0.665 -6.674 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.759 1.768 -4.049 1.00 0.00 H new ATOM 0 HB3 ASP A 51 9.148 0.184 -4.689 1.00 0.00 H new ATOM 790 N ILE A 52 6.020 0.921 -3.795 1.00 0.00 N ATOM 791 CA ILE A 52 5.069 0.151 -2.933 1.00 0.00 C ATOM 792 C ILE A 52 3.913 -0.410 -3.756 1.00 0.00 C ATOM 793 O ILE A 52 3.614 -1.583 -3.662 1.00 0.00 O ATOM 794 CB ILE A 52 4.558 1.050 -1.795 1.00 0.00 C ATOM 795 CG1 ILE A 52 5.489 0.897 -0.591 1.00 0.00 C ATOM 796 CG2 ILE A 52 3.130 0.655 -1.388 1.00 0.00 C ATOM 797 CD1 ILE A 52 4.831 1.502 0.649 1.00 0.00 C ATOM 0 H ILE A 52 6.234 1.865 -3.475 1.00 0.00 H new ATOM 0 HA ILE A 52 5.596 -0.698 -2.498 1.00 0.00 H new ATOM 0 HB ILE A 52 4.545 2.085 -2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.709 -0.157 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.439 1.393 -0.789 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.789 1.304 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.465 0.761 -2.245 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.122 -0.381 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.497 1.391 1.505 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.634 2.560 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.892 0.987 0.851 1.00 0.00 H new ATOM 809 N PRO A 53 3.294 0.420 -4.536 1.00 0.00 N ATOM 810 CA PRO A 53 2.176 -0.017 -5.367 1.00 0.00 C ATOM 811 C PRO A 53 2.690 -0.867 -6.508 1.00 0.00 C ATOM 812 O PRO A 53 2.213 -1.951 -6.739 1.00 0.00 O ATOM 813 CB PRO A 53 1.553 1.275 -5.859 1.00 0.00 C ATOM 814 CG PRO A 53 2.635 2.369 -5.717 1.00 0.00 C ATOM 815 CD PRO A 53 3.647 1.846 -4.682 1.00 0.00 C ATOM 0 HA PRO A 53 1.451 -0.633 -4.835 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.232 1.180 -6.896 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.669 1.526 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.121 2.561 -6.673 1.00 0.00 H new ATOM 0 HG3 PRO A 53 2.195 3.311 -5.389 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.673 1.971 -5.027 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.562 2.378 -3.735 1.00 0.00 H new ATOM 823 N GLY A 54 3.674 -0.404 -7.211 1.00 0.00 N ATOM 824 CA GLY A 54 4.213 -1.231 -8.314 1.00 0.00 C ATOM 825 C GLY A 54 4.463 -2.632 -7.773 1.00 0.00 C ATOM 826 O GLY A 54 4.447 -3.603 -8.504 1.00 0.00 O ATOM 0 H GLY A 54 4.125 0.500 -7.073 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.509 -1.264 -9.145 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.138 -0.800 -8.697 1.00 0.00 H new ATOM 830 N PHE A 55 4.671 -2.752 -6.488 1.00 0.00 N ATOM 831 CA PHE A 55 4.892 -4.101 -5.910 1.00 0.00 C ATOM 832 C PHE A 55 3.545 -4.824 -5.807 1.00 0.00 C ATOM 833 O PHE A 55 3.399 -5.943 -6.258 1.00 0.00 O ATOM 834 CB PHE A 55 5.528 -3.971 -4.515 1.00 0.00 C ATOM 835 CG PHE A 55 5.083 -5.124 -3.640 1.00 0.00 C ATOM 836 CD1 PHE A 55 5.124 -6.433 -4.133 1.00 0.00 C ATOM 837 CD2 PHE A 55 4.603 -4.879 -2.353 1.00 0.00 C ATOM 838 CE1 PHE A 55 4.686 -7.494 -3.337 1.00 0.00 C ATOM 839 CE2 PHE A 55 4.171 -5.944 -1.559 1.00 0.00 C ATOM 840 CZ PHE A 55 4.211 -7.249 -2.050 1.00 0.00 C ATOM 0 H PHE A 55 4.697 -1.979 -5.823 1.00 0.00 H new ATOM 0 HA PHE A 55 5.565 -4.672 -6.550 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.615 -3.965 -4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 55 5.238 -3.024 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.495 -6.623 -5.130 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.566 -3.869 -1.972 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.715 -8.504 -3.719 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.804 -5.756 -0.561 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.874 -8.069 -1.433 1.00 0.00 H new ATOM 850 N CYS A 56 2.565 -4.208 -5.202 1.00 0.00 N ATOM 851 CA CYS A 56 1.254 -4.894 -5.067 1.00 0.00 C ATOM 852 C CYS A 56 0.755 -5.326 -6.441 1.00 0.00 C ATOM 853 O CYS A 56 0.198 -6.387 -6.597 1.00 0.00 O ATOM 854 CB CYS A 56 0.251 -3.943 -4.427 1.00 0.00 C ATOM 855 SG CYS A 56 0.564 -3.877 -2.645 1.00 0.00 S ATOM 0 H CYS A 56 2.616 -3.272 -4.801 1.00 0.00 H new ATOM 0 HA CYS A 56 1.368 -5.777 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 56 0.343 -2.948 -4.863 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -0.767 -4.283 -4.619 1.00 0.00 H new ATOM 0 HG CYS A 56 -0.363 -4.538 -2.017 1.00 0.00 H new ATOM 861 N THR A 57 0.955 -4.521 -7.440 1.00 0.00 N ATOM 862 CA THR A 57 0.488 -4.906 -8.799 1.00 0.00 C ATOM 863 C THR A 57 1.259 -6.140 -9.270 1.00 0.00 C ATOM 864 O THR A 57 0.748 -6.967 -10.000 1.00 0.00 O ATOM 865 CB THR A 57 0.742 -3.755 -9.768 1.00 0.00 C ATOM 866 OG1 THR A 57 0.166 -2.564 -9.250 1.00 0.00 O ATOM 867 CG2 THR A 57 0.115 -4.083 -11.122 1.00 0.00 C ATOM 0 H THR A 57 1.420 -3.615 -7.378 1.00 0.00 H new ATOM 0 HA THR A 57 -0.578 -5.129 -8.767 1.00 0.00 H new ATOM 0 HB THR A 57 1.815 -3.612 -9.892 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.330 -1.824 -9.871 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.296 -3.261 -11.815 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.560 -4.996 -11.517 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.959 -4.226 -11.001 1.00 0.00 H new ATOM 875 N PHE A 58 2.492 -6.257 -8.868 1.00 0.00 N ATOM 876 CA PHE A 58 3.318 -7.421 -9.298 1.00 0.00 C ATOM 877 C PHE A 58 2.863 -8.707 -8.590 1.00 0.00 C ATOM 878 O PHE A 58 3.003 -9.790 -9.121 1.00 0.00 O ATOM 879 CB PHE A 58 4.783 -7.146 -8.952 1.00 0.00 C ATOM 880 CG PHE A 58 5.680 -7.855 -9.937 1.00 0.00 C ATOM 881 CD1 PHE A 58 5.715 -9.254 -9.972 1.00 0.00 C ATOM 882 CD2 PHE A 58 6.480 -7.112 -10.815 1.00 0.00 C ATOM 883 CE1 PHE A 58 6.549 -9.911 -10.884 1.00 0.00 C ATOM 884 CE2 PHE A 58 7.314 -7.769 -11.727 1.00 0.00 C ATOM 885 CZ PHE A 58 7.348 -9.169 -11.761 1.00 0.00 C ATOM 0 H PHE A 58 2.967 -5.593 -8.256 1.00 0.00 H new ATOM 0 HA PHE A 58 3.200 -7.557 -10.373 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.977 -6.074 -8.975 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.998 -7.487 -7.939 1.00 0.00 H new ATOM 0 HD1 PHE A 58 5.098 -9.827 -9.295 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.453 -6.033 -10.788 1.00 0.00 H new ATOM 0 HE1 PHE A 58 6.576 -10.990 -10.911 1.00 0.00 H new ATOM 0 HE2 PHE A 58 7.931 -7.197 -12.404 1.00 0.00 H new ATOM 0 HZ PHE A 58 7.991 -9.676 -12.465 1.00 0.00 H new ATOM 895 N MET A 59 2.339 -8.609 -7.397 1.00 0.00 N ATOM 896 CA MET A 59 1.910 -9.849 -6.679 1.00 0.00 C ATOM 897 C MET A 59 0.446 -10.192 -6.975 1.00 0.00 C ATOM 898 O MET A 59 -0.109 -11.099 -6.387 1.00 0.00 O ATOM 899 CB MET A 59 2.101 -9.671 -5.182 1.00 0.00 C ATOM 900 CG MET A 59 3.491 -10.169 -4.783 1.00 0.00 C ATOM 901 SD MET A 59 3.617 -11.941 -5.134 1.00 0.00 S ATOM 902 CE MET A 59 4.821 -11.823 -6.480 1.00 0.00 C ATOM 0 H MET A 59 2.190 -7.736 -6.892 1.00 0.00 H new ATOM 0 HA MET A 59 2.529 -10.673 -7.035 1.00 0.00 H new ATOM 0 HB2 MET A 59 1.988 -8.621 -4.912 1.00 0.00 H new ATOM 0 HB3 MET A 59 1.335 -10.224 -4.638 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.257 -9.623 -5.333 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.666 -9.983 -3.723 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.579 -12.555 -7.250 1.00 0.00 H new ATOM 0 HE2 MET A 59 4.790 -10.822 -6.909 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.820 -12.021 -6.093 1.00 0.00 H new ATOM 912 N GLU A 60 -0.178 -9.491 -7.885 1.00 0.00 N ATOM 913 CA GLU A 60 -1.605 -9.798 -8.232 1.00 0.00 C ATOM 914 C GLU A 60 -2.563 -9.153 -7.223 1.00 0.00 C ATOM 915 O GLU A 60 -3.676 -9.603 -7.037 1.00 0.00 O ATOM 916 CB GLU A 60 -1.820 -11.314 -8.242 1.00 0.00 C ATOM 917 CG GLU A 60 -2.567 -11.716 -9.515 1.00 0.00 C ATOM 918 CD GLU A 60 -3.946 -12.262 -9.146 1.00 0.00 C ATOM 919 OE1 GLU A 60 -4.590 -11.666 -8.298 1.00 0.00 O ATOM 920 OE2 GLU A 60 -4.336 -13.268 -9.716 1.00 0.00 O ATOM 0 H GLU A 60 0.236 -8.718 -8.406 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.813 -9.389 -9.221 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.860 -11.828 -8.193 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -2.389 -11.617 -7.363 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.670 -10.855 -10.176 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.999 -12.470 -10.060 1.00 0.00 H new ATOM 927 N HIS A 61 -2.146 -8.100 -6.584 1.00 0.00 N ATOM 928 CA HIS A 61 -3.024 -7.413 -5.605 1.00 0.00 C ATOM 929 C HIS A 61 -3.711 -6.246 -6.307 1.00 0.00 C ATOM 930 O HIS A 61 -3.432 -5.960 -7.454 1.00 0.00 O ATOM 931 CB HIS A 61 -2.168 -6.894 -4.457 1.00 0.00 C ATOM 932 CG HIS A 61 -1.356 -8.029 -3.914 1.00 0.00 C ATOM 933 ND1 HIS A 61 -1.606 -9.340 -4.279 1.00 0.00 N ATOM 934 CD2 HIS A 61 -0.297 -8.074 -3.046 1.00 0.00 C ATOM 935 CE1 HIS A 61 -0.716 -10.113 -3.642 1.00 0.00 C ATOM 936 NE2 HIS A 61 0.108 -9.394 -2.873 1.00 0.00 N ATOM 0 H HIS A 61 -1.223 -7.682 -6.700 1.00 0.00 H new ATOM 0 HA HIS A 61 -3.775 -8.099 -5.214 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.514 -6.094 -4.804 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.800 -6.473 -3.675 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.335 -9.660 -4.917 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.154 -7.216 -2.569 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.670 -11.188 -3.738 1.00 0.00 H new ATOM 944 N GLU A 62 -4.616 -5.575 -5.652 1.00 0.00 N ATOM 945 CA GLU A 62 -5.307 -4.451 -6.332 1.00 0.00 C ATOM 946 C GLU A 62 -5.127 -3.155 -5.562 1.00 0.00 C ATOM 947 O GLU A 62 -5.145 -3.126 -4.353 1.00 0.00 O ATOM 948 CB GLU A 62 -6.798 -4.753 -6.418 1.00 0.00 C ATOM 949 CG GLU A 62 -7.104 -5.485 -7.725 1.00 0.00 C ATOM 950 CD GLU A 62 -6.606 -6.929 -7.632 1.00 0.00 C ATOM 951 OE1 GLU A 62 -7.085 -7.645 -6.768 1.00 0.00 O ATOM 952 OE2 GLU A 62 -5.754 -7.294 -8.425 1.00 0.00 O ATOM 0 H GLU A 62 -4.903 -5.754 -4.690 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.875 -4.340 -7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.104 -5.363 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -7.370 -3.826 -6.367 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -8.176 -5.471 -7.919 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.622 -4.976 -8.560 1.00 0.00 H new ATOM 959 N LEU A 63 -5.018 -2.075 -6.275 1.00 0.00 N ATOM 960 CA LEU A 63 -4.906 -0.745 -5.621 1.00 0.00 C ATOM 961 C LEU A 63 -6.337 -0.286 -5.386 1.00 0.00 C ATOM 962 O LEU A 63 -7.020 0.123 -6.303 1.00 0.00 O ATOM 963 CB LEU A 63 -4.170 0.229 -6.558 1.00 0.00 C ATOM 964 CG LEU A 63 -4.521 1.688 -6.221 1.00 0.00 C ATOM 965 CD1 LEU A 63 -3.612 2.194 -5.099 1.00 0.00 C ATOM 966 CD2 LEU A 63 -4.311 2.554 -7.466 1.00 0.00 C ATOM 0 H LEU A 63 -5.001 -2.055 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.345 -0.787 -4.688 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.094 0.080 -6.470 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.438 0.016 -7.593 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.560 1.745 -5.897 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.865 3.228 -4.864 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.751 1.576 -4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.572 2.139 -5.421 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -4.558 3.590 -7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.270 2.491 -7.782 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.956 2.198 -8.270 1.00 0.00 H new ATOM 978 N VAL A 64 -6.829 -0.392 -4.186 1.00 0.00 N ATOM 979 CA VAL A 64 -8.220 -0.013 -3.947 1.00 0.00 C ATOM 980 C VAL A 64 -8.378 1.514 -4.021 1.00 0.00 C ATOM 981 O VAL A 64 -9.229 2.007 -4.734 1.00 0.00 O ATOM 982 CB VAL A 64 -8.612 -0.586 -2.596 1.00 0.00 C ATOM 983 CG1 VAL A 64 -9.976 -0.078 -2.214 1.00 0.00 C ATOM 984 CG2 VAL A 64 -8.679 -2.107 -2.698 1.00 0.00 C ATOM 0 H VAL A 64 -6.318 -0.726 -3.369 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.886 -0.415 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.876 -0.286 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -10.259 -0.488 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.956 1.010 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -10.703 -0.387 -2.965 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.960 -2.524 -1.731 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.421 -2.389 -3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.704 -2.495 -2.991 1.00 0.00 H new ATOM 994 N ALA A 65 -7.575 2.283 -3.324 1.00 0.00 N ATOM 995 CA ALA A 65 -7.734 3.773 -3.432 1.00 0.00 C ATOM 996 C ALA A 65 -6.377 4.474 -3.280 1.00 0.00 C ATOM 997 O ALA A 65 -5.634 4.198 -2.392 1.00 0.00 O ATOM 998 CB ALA A 65 -8.680 4.261 -2.333 1.00 0.00 C ATOM 0 H ALA A 65 -6.836 1.958 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.144 4.012 -4.413 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.798 5.342 -2.408 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.652 3.781 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.265 4.008 -1.357 1.00 0.00 H new ATOM 1004 N LYS A 66 -6.018 5.371 -4.140 1.00 0.00 N ATOM 1005 CA LYS A 66 -4.701 6.022 -3.971 1.00 0.00 C ATOM 1006 C LYS A 66 -4.847 7.375 -3.296 1.00 0.00 C ATOM 1007 O LYS A 66 -5.910 7.961 -3.244 1.00 0.00 O ATOM 1008 CB LYS A 66 -4.066 6.230 -5.325 1.00 0.00 C ATOM 1009 CG LYS A 66 -4.501 5.114 -6.247 1.00 0.00 C ATOM 1010 CD LYS A 66 -5.746 5.534 -7.031 1.00 0.00 C ATOM 1011 CE LYS A 66 -5.343 5.921 -8.454 1.00 0.00 C ATOM 1012 NZ LYS A 66 -5.645 7.362 -8.682 1.00 0.00 N ATOM 0 H LYS A 66 -6.569 5.679 -4.941 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.080 5.377 -3.349 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.362 7.195 -5.736 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.980 6.242 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.694 4.866 -6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.713 4.215 -5.668 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.467 4.717 -7.055 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.233 6.375 -6.538 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.280 5.733 -8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.882 5.307 -9.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.371 7.625 -9.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -6.664 7.528 -8.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.112 7.940 -8.002 1.00 0.00 H new ATOM 1026 N GLU A 67 -3.762 7.869 -2.795 1.00 0.00 N ATOM 1027 CA GLU A 67 -3.767 9.188 -2.126 1.00 0.00 C ATOM 1028 C GLU A 67 -2.511 9.962 -2.531 1.00 0.00 C ATOM 1029 O GLU A 67 -1.405 9.609 -2.174 1.00 0.00 O ATOM 1030 CB GLU A 67 -3.781 8.980 -0.626 1.00 0.00 C ATOM 1031 CG GLU A 67 -5.224 8.936 -0.120 1.00 0.00 C ATOM 1032 CD GLU A 67 -5.816 10.346 -0.143 1.00 0.00 C ATOM 1033 OE1 GLU A 67 -5.045 11.291 -0.170 1.00 0.00 O ATOM 1034 OE2 GLU A 67 -7.031 10.456 -0.132 1.00 0.00 O ATOM 0 H GLU A 67 -2.853 7.406 -2.821 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.650 9.755 -2.422 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.270 8.051 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.238 9.786 -0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.819 8.270 -0.744 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.253 8.534 0.893 1.00 0.00 H new ATOM 1041 N THR A 68 -2.675 11.015 -3.274 1.00 0.00 N ATOM 1042 CA THR A 68 -1.503 11.824 -3.710 1.00 0.00 C ATOM 1043 C THR A 68 -1.883 13.296 -3.609 1.00 0.00 C ATOM 1044 O THR A 68 -1.415 14.129 -4.360 1.00 0.00 O ATOM 1045 CB THR A 68 -1.157 11.476 -5.159 1.00 0.00 C ATOM 1046 OG1 THR A 68 -2.024 12.183 -6.035 1.00 0.00 O ATOM 1047 CG2 THR A 68 -1.327 9.970 -5.375 1.00 0.00 C ATOM 0 H THR A 68 -3.579 11.355 -3.603 1.00 0.00 H new ATOM 0 HA THR A 68 -0.637 11.615 -3.082 1.00 0.00 H new ATOM 0 HB THR A 68 -0.125 11.758 -5.366 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.802 11.962 -6.964 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.081 9.720 -6.407 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.662 9.429 -4.702 1.00 0.00 H new ATOM 0 HG23 THR A 68 -2.359 9.687 -5.170 1.00 0.00 H new ATOM 1055 N ASP A 69 -2.742 13.618 -2.679 1.00 0.00 N ATOM 1056 CA ASP A 69 -3.174 15.038 -2.517 1.00 0.00 C ATOM 1057 C ASP A 69 -2.110 15.825 -1.757 1.00 0.00 C ATOM 1058 O ASP A 69 -2.292 16.977 -1.418 1.00 0.00 O ATOM 1059 CB ASP A 69 -4.484 15.081 -1.739 1.00 0.00 C ATOM 1060 CG ASP A 69 -5.525 14.202 -2.438 1.00 0.00 C ATOM 1061 OD1 ASP A 69 -5.545 13.014 -2.168 1.00 0.00 O ATOM 1062 OD2 ASP A 69 -6.284 14.735 -3.231 1.00 0.00 O ATOM 0 H ASP A 69 -3.164 12.959 -2.024 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.313 15.484 -3.502 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -4.324 14.732 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -4.846 16.107 -1.672 1.00 0.00 H new ATOM 1067 N GLY A 70 -1.006 15.206 -1.491 1.00 0.00 N ATOM 1068 CA GLY A 70 0.082 15.878 -0.763 1.00 0.00 C ATOM 1069 C GLY A 70 0.582 14.964 0.334 1.00 0.00 C ATOM 1070 O GLY A 70 -0.164 14.460 1.149 1.00 0.00 O ATOM 0 H GLY A 70 -0.810 14.240 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 70 0.895 16.125 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.274 16.816 -0.338 1.00 0.00 H new ATOM 1074 N LEU A 71 1.845 14.750 0.327 1.00 0.00 N ATOM 1075 CA LEU A 71 2.485 13.862 1.332 1.00 0.00 C ATOM 1076 C LEU A 71 1.797 13.998 2.699 1.00 0.00 C ATOM 1077 O LEU A 71 1.336 15.061 3.065 1.00 0.00 O ATOM 1078 CB LEU A 71 3.959 14.232 1.484 1.00 0.00 C ATOM 1079 CG LEU A 71 4.686 13.981 0.174 1.00 0.00 C ATOM 1080 CD1 LEU A 71 5.832 14.982 0.018 1.00 0.00 C ATOM 1081 CD2 LEU A 71 5.253 12.561 0.182 1.00 0.00 C ATOM 0 H LEU A 71 2.490 15.160 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 71 2.389 12.833 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 71 4.054 15.280 1.769 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.412 13.643 2.281 1.00 0.00 H new ATOM 0 HG LEU A 71 3.990 14.099 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.350 14.798 -0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.432 15.996 0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.531 14.866 0.846 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.777 12.373 -0.755 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.948 12.452 1.014 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.439 11.845 0.293 1.00 0.00 H new ATOM 1093 N PRO A 72 1.773 12.901 3.409 1.00 0.00 N ATOM 1094 CA PRO A 72 2.344 11.642 2.922 1.00 0.00 C ATOM 1095 C PRO A 72 1.336 10.971 1.992 1.00 0.00 C ATOM 1096 O PRO A 72 0.139 11.083 2.166 1.00 0.00 O ATOM 1097 CB PRO A 72 2.517 10.803 4.173 1.00 0.00 C ATOM 1098 CG PRO A 72 1.495 11.358 5.183 1.00 0.00 C ATOM 1099 CD PRO A 72 1.191 12.810 4.758 1.00 0.00 C ATOM 0 HA PRO A 72 3.277 11.776 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.333 9.749 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.533 10.880 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.586 10.757 5.183 1.00 0.00 H new ATOM 0 HG3 PRO A 72 1.897 11.328 6.196 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.119 13.009 4.747 1.00 0.00 H new ATOM 0 HD3 PRO A 72 1.643 13.531 5.440 1.00 0.00 H new ATOM 1107 N TYR A 73 1.813 10.273 1.022 1.00 0.00 N ATOM 1108 CA TYR A 73 0.899 9.578 0.078 1.00 0.00 C ATOM 1109 C TYR A 73 0.236 8.405 0.772 1.00 0.00 C ATOM 1110 O TYR A 73 0.737 7.895 1.747 1.00 0.00 O ATOM 1111 CB TYR A 73 1.677 8.974 -1.061 1.00 0.00 C ATOM 1112 CG TYR A 73 2.770 9.881 -1.507 1.00 0.00 C ATOM 1113 CD1 TYR A 73 2.498 10.987 -2.311 1.00 0.00 C ATOM 1114 CD2 TYR A 73 4.069 9.564 -1.156 1.00 0.00 C ATOM 1115 CE1 TYR A 73 3.546 11.795 -2.753 1.00 0.00 C ATOM 1116 CE2 TYR A 73 5.128 10.350 -1.601 1.00 0.00 C ATOM 1117 CZ TYR A 73 4.870 11.476 -2.401 1.00 0.00 C ATOM 1118 OH TYR A 73 5.913 12.262 -2.848 1.00 0.00 O ATOM 0 H TYR A 73 2.807 10.147 0.832 1.00 0.00 H new ATOM 0 HA TYR A 73 0.176 10.315 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.098 8.018 -0.750 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.006 8.771 -1.896 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.481 11.217 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.263 8.703 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.341 12.662 -3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.143 10.096 -1.333 1.00 0.00 H new ATOM 0 HH TYR A 73 6.752 11.950 -2.449 1.00 0.00 H new ATOM 1128 N ARG A 74 -0.842 7.914 0.241 1.00 0.00 N ATOM 1129 CA ARG A 74 -1.461 6.730 0.844 1.00 0.00 C ATOM 1130 C ARG A 74 -2.045 5.910 -0.269 1.00 0.00 C ATOM 1131 O ARG A 74 -2.386 6.412 -1.305 1.00 0.00 O ATOM 1132 CB ARG A 74 -2.530 7.128 1.839 1.00 0.00 C ATOM 1133 CG ARG A 74 -1.861 7.411 3.168 1.00 0.00 C ATOM 1134 CD ARG A 74 -2.643 8.485 3.928 1.00 0.00 C ATOM 1135 NE ARG A 74 -3.040 7.959 5.264 1.00 0.00 N ATOM 1136 CZ ARG A 74 -3.852 8.647 6.021 1.00 0.00 C ATOM 1137 NH1 ARG A 74 -3.385 9.601 6.780 1.00 0.00 N ATOM 1138 NH2 ARG A 74 -5.129 8.380 6.019 1.00 0.00 N ATOM 0 H ARG A 74 -1.314 8.286 -0.583 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.717 6.151 1.392 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.066 8.010 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.265 6.330 1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.810 6.498 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.835 7.743 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.032 9.380 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.528 8.775 3.362 1.00 0.00 H new ATOM 0 HE ARG A 74 -2.678 7.062 5.587 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -2.386 9.809 6.782 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.019 10.139 7.371 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.493 7.634 5.426 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -5.763 8.917 6.610 1.00 0.00 H new ATOM 1152 N TYR A 75 -2.151 4.654 -0.072 1.00 0.00 N ATOM 1153 CA TYR A 75 -2.693 3.807 -1.142 1.00 0.00 C ATOM 1154 C TYR A 75 -3.334 2.592 -0.532 1.00 0.00 C ATOM 1155 O TYR A 75 -2.690 1.826 0.157 1.00 0.00 O ATOM 1156 CB TYR A 75 -1.584 3.338 -2.066 1.00 0.00 C ATOM 1157 CG TYR A 75 -0.464 4.341 -2.107 1.00 0.00 C ATOM 1158 CD1 TYR A 75 -0.582 5.529 -2.827 1.00 0.00 C ATOM 1159 CD2 TYR A 75 0.710 4.038 -1.450 1.00 0.00 C ATOM 1160 CE1 TYR A 75 0.498 6.419 -2.888 1.00 0.00 C ATOM 1161 CE2 TYR A 75 1.795 4.923 -1.493 1.00 0.00 C ATOM 1162 CZ TYR A 75 1.689 6.114 -2.219 1.00 0.00 C ATOM 1163 OH TYR A 75 2.762 6.980 -2.286 1.00 0.00 O ATOM 0 H TYR A 75 -1.887 4.168 0.785 1.00 0.00 H new ATOM 0 HA TYR A 75 -3.419 4.390 -1.709 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -1.204 2.375 -1.726 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -1.980 3.187 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -1.505 5.763 -3.337 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.793 3.113 -0.899 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.412 7.338 -3.449 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.709 4.687 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 75 3.491 6.641 -1.726 1.00 0.00 H new ATOM 1173 N LEU A 76 -4.575 2.366 -0.791 1.00 0.00 N ATOM 1174 CA LEU A 76 -5.174 1.175 -0.237 1.00 0.00 C ATOM 1175 C LEU A 76 -4.936 0.071 -1.243 1.00 0.00 C ATOM 1176 O LEU A 76 -4.875 0.327 -2.429 1.00 0.00 O ATOM 1177 CB LEU A 76 -6.668 1.310 -0.074 1.00 0.00 C ATOM 1178 CG LEU A 76 -7.193 -0.007 0.466 1.00 0.00 C ATOM 1179 CD1 LEU A 76 -6.854 -0.125 1.949 1.00 0.00 C ATOM 1180 CD2 LEU A 76 -8.686 -0.049 0.254 1.00 0.00 C ATOM 0 H LEU A 76 -5.185 2.955 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.739 0.983 0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.906 2.126 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.137 1.546 -1.029 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.730 -0.845 -0.056 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.232 -1.072 2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.773 -0.086 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.315 0.699 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.081 -0.990 0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.152 0.782 0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -8.905 0.030 -0.811 1.00 0.00 H new ATOM 1192 N ILE A 77 -4.816 -1.142 -0.826 1.00 0.00 N ATOM 1193 CA ILE A 77 -4.610 -2.201 -1.820 1.00 0.00 C ATOM 1194 C ILE A 77 -5.360 -3.457 -1.398 1.00 0.00 C ATOM 1195 O ILE A 77 -5.003 -4.112 -0.439 1.00 0.00 O ATOM 1196 CB ILE A 77 -3.120 -2.470 -1.916 1.00 0.00 C ATOM 1197 CG1 ILE A 77 -2.399 -1.126 -2.069 1.00 0.00 C ATOM 1198 CG2 ILE A 77 -2.836 -3.370 -3.121 1.00 0.00 C ATOM 1199 CD1 ILE A 77 -0.972 -1.336 -2.580 1.00 0.00 C ATOM 0 H ILE A 77 -4.851 -1.443 0.148 1.00 0.00 H new ATOM 0 HA ILE A 77 -4.991 -1.895 -2.794 1.00 0.00 H new ATOM 0 HB ILE A 77 -2.765 -2.977 -1.019 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -2.949 -0.489 -2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.375 -0.609 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.765 -3.562 -3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -3.367 -4.315 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -3.173 -2.876 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.476 -0.371 -2.682 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.420 -1.954 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.002 -1.833 -3.550 1.00 0.00 H new ATOM 1211 N ARG A 78 -6.407 -3.800 -2.101 1.00 0.00 N ATOM 1212 CA ARG A 78 -7.172 -5.015 -1.713 1.00 0.00 C ATOM 1213 C ARG A 78 -6.343 -6.261 -2.048 1.00 0.00 C ATOM 1214 O ARG A 78 -6.151 -6.604 -3.198 1.00 0.00 O ATOM 1215 CB ARG A 78 -8.495 -5.047 -2.488 1.00 0.00 C ATOM 1216 CG ARG A 78 -9.101 -6.453 -2.430 1.00 0.00 C ATOM 1217 CD ARG A 78 -10.622 -6.349 -2.306 1.00 0.00 C ATOM 1218 NE ARG A 78 -11.199 -5.921 -3.612 1.00 0.00 N ATOM 1219 CZ ARG A 78 -12.416 -5.452 -3.666 1.00 0.00 C ATOM 1220 NH1 ARG A 78 -12.630 -4.174 -3.516 1.00 0.00 N ATOM 1221 NH2 ARG A 78 -13.418 -6.262 -3.872 1.00 0.00 N ATOM 0 H ARG A 78 -6.760 -3.298 -2.916 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.381 -4.997 -0.643 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.192 -4.324 -2.065 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.326 -4.757 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.836 -7.012 -3.328 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.693 -7.002 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.040 -7.311 -2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.886 -5.633 -1.528 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.643 -5.995 -4.464 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.846 -3.541 -3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.581 -3.808 -3.558 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.250 -7.261 -3.991 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.369 -5.896 -3.914 1.00 0.00 H new ATOM 1235 N LYS A 79 -5.859 -6.946 -1.041 1.00 0.00 N ATOM 1236 CA LYS A 79 -5.051 -8.175 -1.290 1.00 0.00 C ATOM 1237 C LYS A 79 -5.869 -9.114 -2.157 1.00 0.00 C ATOM 1238 O LYS A 79 -7.030 -9.341 -1.893 1.00 0.00 O ATOM 1239 CB LYS A 79 -4.736 -8.862 0.037 1.00 0.00 C ATOM 1240 CG LYS A 79 -4.085 -10.219 -0.234 1.00 0.00 C ATOM 1241 CD LYS A 79 -2.727 -10.004 -0.904 1.00 0.00 C ATOM 1242 CE LYS A 79 -1.929 -8.962 -0.116 1.00 0.00 C ATOM 1243 NZ LYS A 79 -2.083 -7.625 -0.756 1.00 0.00 N ATOM 0 H LYS A 79 -5.990 -6.705 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 79 -4.117 -7.913 -1.786 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.069 -8.239 0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -5.650 -8.994 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.960 -10.768 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.728 -10.822 -0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.177 -10.944 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.866 -9.670 -1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.279 -8.925 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.876 -9.243 -0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.155 -7.160 -0.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.475 -7.741 -1.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.727 -7.040 -0.187 1.00 0.00 H new